Common name
(2Z,5Z)-hepta-2,5-diene
IUPAC name
(2Z,5Z)-hepta-2,5-diene
SMILES
C(C=CC)C=CC
Common name
(2Z,5Z)-hepta-2,5-diene
IUPAC name
(2Z,5Z)-hepta-2,5-diene
SMILES
C(C=CC)C=CC
INCHI
InChI=1S/C7H12/c1-3-5-7-6-4-2/h3-6H,7H2,1-2H3/b5-3-,6-4-
FORMULA
C7H12
Common name
(2Z,5Z)-hepta-2,5-diene
IUPAC name
(2Z,5Z)-hepta-2,5-diene
Molecular weight
96.170
clogP
1.864
clogS
-1.153
Frequency
0.0014
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00024 | Alpha-Linolenic Acid |
|
Dietary Supplements; Micronutrients; Supplements; | For nutritional supplementation and for treating dietary shortage or imbalance. |
| FDBD00045 | Dihomo-gamma-linolenic acid |
|
Dietary Supplements; Micronutrients; Supplements; | For nutritional supplementation, also for treating dietary shortage or imbalance. |
| FDBD00049 | Icosapent |
|
Dietary Supplements; Micronutrients; Supplements; Omega-3 Fatty Acids; | EPA can be used for lowering elevated triglycerides in those who are hyperglyceridemic. In addition, EPA may play a therapeutic role in patients with cystic fibrosis by reducing disease severity and may play a similar role in type 2 diabetics in slowing the progression of diabetic nephropathy. |
| FDBD01556 | Icosapent ethyl |
|
Platelet Aggregation Inhibitors; Hypolipidemic Agents; Omega-3 Fatty Acids; | Icosapent ethyl is used as adjunct therapy to reduce triglyceride (TG) levels in adults with severe (>500 mg/dL) hypertriglyceridemia. |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3dzt_ligand_4_1330.mol2 | 3dzt | 1 | -6.94 | C(=C\C/C=C\C)\C | 7 |
| 1gnj_ligand_4_589.mol2 | 1gnj | 1 | -6.84 | C/C=C\C/C=C\C | 7 |
| 1gnj_ligand_4_680.mol2 | 1gnj | 1 | -6.81 | C/C=C\C/C=C\C | 7 |
| 1gnj_ligand_4_385.mol2 | 1gnj | 1 | -6.76 | C(/C=C\C)/C=C\C | 7 |
| 1vyg_ligand_4_680.mol2 | 1vyg | 1 | -6.70 | C/C=C\C/C=C\C | 7 |
| 1vyg_ligand_4_589.mol2 | 1vyg | 1 | -6.69 | C(=C\C/C=C\C)\C | 7 |
| 5d1r_ligand_6_65.mol2 | 5d1r | 1 | -6.58 | C(=C\C)/C/C=C\C | 7 |
234 ,
24
